SARS-CoV-2 3CLpro-IN-2

• CAT Number: I043673
• CAS Number: 2765088-93-3
• Molecular Formula: C21H18F5N5O4
• Molecular Weight: 499.39
• Purity: ≥95%
• Synonyms: 2-[4-[4-(difluoromethoxy)-2-methylanilino]-2,6-dioxo-3-[(3,4,5-trifluorophenyl)methyl]-1,3,5-triazin-1-yl]-N-methylacetamide
• InChI: InChI=1S/C21H18F5N5O4/c1-10-5-12(35-18(25)26)3-4-15(10)28-19-29-20(33)31(9-16(32)27-2)21(34)30(19)8-11-6-13(22)17(24)14(23)7-11/h3-7,18H,8-9H2,1-2H3,(H,27,32)(H,28,29,33)
• InChIKey: JHDIUUFGPILEJO-UHFFFAOYSA-N
• SMILES: CC1=C(C=CC(=C1)OC(F)F)NC2=NC(=O)N(C(=O)N2CC3=CC(=C(C(=C3)F)F)F)CC(=O)NC

SARS-CoV-2 3CLpro-IN-2 (Compound 1) is a potent inhibitor of 3CL protease. SARS-CoV-2 3CLpro-IN-2 has the potential for the research of SARS-CoV-2 diseases[1].

Reference

[1]. Tyndall JDA. S-217622, a 3CL Protease Inhibitor and Clinical Candidate for SARS-CoV-2. J Med Chem. 2022 May 12;65(9):6496-6498.
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